(4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one

C23H18N2O2 — CID 15263288

IUPAC(4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one
SMILESCOc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1
InChIInChI=1S/C23H18N2O2/c1-27-20-14-8-9-17(15-20)16-21-22(18-10-4-2-5-11-18)24-25(23(21)26)19-12-6-3-7-13-19/h2-16H,1H3/b21-16-
InChIKeyGCNWOGZMFCMHFV-PGMHBOJBSA-N
MW354.41 g/mol
LogP4.53
Rot. Bonds4

About (4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one

(4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one (PubChem CID 15263288) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is (4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one
PubChem CID15263288
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name(4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one
SMILESCOc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1
InChIInChI=1S/C23H18N2O2/c1-27-20-14-8-9-17(15-20)16-21-22(18-10-4-2-5-11-18)24-25(23(21)26)19-12-6-3-7-13-19/h2-16H,1H3/b21-16-
InChIKeyGCNWOGZMFCMHFV-PGMHBOJBSA-N
XLogP4.53
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-Dimethoxy-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5386459
4-(3,4-Dimethoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 10428730
4-(4-Methoxy-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5395481
(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 5286690
1-Phenyl-3-methyl-4-(2-methoxyphenylmethylene)-5-pyrazolone
CID 5377598
4-[3-(2,3-Dimethoxy-phenyl)-1-phenyl-allylidene]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5725368
6-(3,4-Dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one
CID 11109680
CID 16194028
CID 16194028
(4E)-4-(4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 5386456
4-(3,4-Dimethoxyphenyl)-2-phenyl-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
CID 18690950
(4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 44318686
(4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-phenyl-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
CID 44318693

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one?
The IUPAC name of (4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one (CID 15263288) is (4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one.
What is the SMILES notation for (4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one?
The canonical SMILES for (4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one is COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1.
What is the InChIKey of (4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one?
The InChIKey is GCNWOGZMFCMHFV-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-27-20-14-8-9-17(15-20)16-21-22(18-10-4-2-5-11-18)24-25(23(21)26)19-12-6-3-7-13-19/h2-16H,1H3/b21-16-.
What are the key properties of (4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one?
(4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one has a molecular weight of 354.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-methoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one is sourced from PubChem (CID 15263288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).